Y040-8041 Screening compound: 3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl 3-{[(benzyloxy)carbonyl]amino}propanoate

Y040-8041 Screening compound: 3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl 3-{[(benzyloxy)carbonyl]amino}propanoate
Y040-8041 Screening compound: 3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl 3-{[(benzyloxy)carbonyl]amino}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8041
3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl 3-{[(benzyloxy)carbonyl]amino}propanoate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

Y040-8041

Molecular Formula

C26H20N2O8 (C26 H20 N2 O8)

Compound Name

3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl 3-{[(benzyloxy)carbonyl]amino}propanoate

IUPAC name

3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl 3-{[(benzyloxy)carbonyl]amino}propanoate

SMILES

[O-][N+](c(cc1)ccc1C1=COc(cc(cc2)OC(CCNC(OCc3ccccc3)=O)=O)c2C1=O)=O

InChI

InChI=1S/C26H20N2O8/c29-24(12-13-27-26(31)35-15-17-4-2-1-3-5-17)36-20-10-11-21-23(14-20)34-16-22(25(21)30)18-6-8-19(9-7-18)28(32)33/h1-11,14,16H,12-13,15H2,(H,27,31)

InChI Key

SOBPHIVGPDBYGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01563228

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.45

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.874

Distribution Coefficient, logD

3.874

Water Solubility, LogSw

-4.37

Polar Surface Area

107.007

Acid Dissociation Constant (pKa)

14.53

Base Dissociation Constant (pKb)

-1.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

References: we are preparing a list of scientific research reports with Y040-8041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8041?
Check Price and Availability of Y040-8041, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y040-8041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8041
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of Y040-8041 available by request